Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34226
- Core Entity Id
- 41239
- Source Entity Count
- 1
- Preferred Name
- Suo malin
- Name En
- Pubchem Id
- 127370
- Smiles Canonical
- C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
- Molecular Formula
- C9H16N2O5
- Molecular Weight
- 232.2360
- Inchikey
- VWXQFHJBQHTHMK-LURJTMIESA-N
- Inchi
- InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
- Isomeric Smiles
- C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN
- Cas Id
- Ob Score
- Mol Logp
- -0.8405
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Suo Malin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Suo malin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Suo malin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
99590-80-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
99590-80-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:27574
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:27574
Role
alias
Source
HERB_v2
Preferred
No
Name
N(2)-Succinylornithine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N2-Succinyl-L-ornithine
Role
alias
Source
HERB_v2
Preferred
No
Name
N2-Succinyl-L-ornithine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE
Role
alias
Source
HERB_v2
Preferred
No
Name
N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N~2~-SUCCINYLORNITHINE
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1533875
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1533875
Role
alias
Source
HERB_v2
Preferred
No
Name
SUO
Role
alias
Source
HERB_v2
Preferred
No
Name
SUO
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid99590-80-4CHEBI:27574N(2)-SuccinylornithineN2-Succinyl-L-ornithineN~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEN~2~-SUCCINYLORNITHINESCHEMBL1533875SUO
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045148
Npass
NPC301349
Tcmid
35914
Pub Chem
127370
Tcmbank
TCMBANKIN012116
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
Mol Wt
232.2359999999999
Smiles
C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
Mol Log P
-0.8404999999999987
In Ch Ikey
VWXQFHJBQHTHMK-LURJTMIESA-N
Num Hdonors
4
Drug Likeness
0.431
Num Hacceptors
4
Isomeric Smiles
C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN
Canonical Smiles
C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
Herb Alias Names
N2-Succinyl-L-ornithineN~2~-SUCCINYLORNITHINEN(2)-succinyl-L-ornithineN~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE99590-80-4SUO(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acidN(2)-SuccinylornithineSCHEMBL1533875CHEBI:27574
Molecular Formula
C9H16N2O5
Molecular Formula
C9H16N2O5
Num Rotatable Bonds
8